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Substance Name: Benzoic acid, p-pentyloxy-, 2-diethylaminoethyl ester, hydrochloride
RN: 20545-86-2
InChIKey: SYGBDNSDXWYOMX-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Skin / Eye Irritant

Molecular Formula

  • C18-H29-N-O3.Cl-H

Molecular Weight

  • 343.892
 
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Names and Synonyms

Synonym

  • p-Pentyloxybenzoic acid 2-diethylaminoethyl ester hydrochloride

Systematic Name

  • Benzoic acid, p-pentyloxy-, 2-diethylaminoethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 20545-86-2

System Generated Number

  • 0020545862

Molecular Formulas

Molecular Formula

  • C18-H29-N-O3.Cl-H

Molecular Formula Fragments

  • C18-H29-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H29NO3.ClH/c1-4-7-8-14-21-17-11-9-16(10-12-17)18(20)22-15-13-19(5-2)6-3;/h9-12H,4-8,13-15H2,1-3H3;1H

InChIKey

SYGBDNSDXWYOMX-UHFFFAOYSA-N

Smiles

c1(ccc(OCCCCC)cc1)C(OCC[NH+](CC)CC)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 291mg/kg (291mg/kg)   Journal of Pharmacy and Pharmacology. Vol. 6, Pg. 119, 1954.